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CHEMBRIDGE-ZINC02546465

 MMsINC code: MMs00712167
Type: Neutral
Formula: C10H20N2O2
SMILES:   OCCCNC(=O)NC1CCCCC1
InChI:   InChI=1/C10H20N2O2/c13-8-4-7-11-10(14)12-9-5-2-1-3-6-9/h9,13H,1-8H2,(H2,11,12,14)

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Potential Energy
Epot(MMFF94)=-19.6551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.0747  SlogP: 1.0007  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0427853  Sterimol/B1: 2.86628  Sterimol/B2: 3.34022  Sterimol/B3: 3.49994
  Sterimol/B4: 3.99784  Sterimol/L: 15.9591 
 
 Surface and Volume Properties
  Accessible surface: 448.733  Positive charged surface: 363.347  Negative charged surface: 85.3859  Volume: 208.75
  Hydrophobic surface: 330.234  Hydrophilic surface: 118.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.